6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride

C22H28Cl2N2O3S — CID 69416851

IUPAC6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2Cl)cc2c1CCC2
InChIInChI=1S/C22H27ClN2O3S.ClH/c23-20-9-2-1-6-16(20)11-13-25-12-4-3-10-21(26)18-14-17-7-5-8-19(17)22(15-18)29(24,27)28;/h1-2,6,9,14-15,25H,3-5,7-8,10-13H2,(H2,24,27,28);1H
InChIKeyGWMRYADQIQWROS-UHFFFAOYSA-N
MW471.45 g/mol
LogP4.08
Rot. Bonds10

About 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride

6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride (PubChem CID 69416851) has the molecular formula C22H28Cl2N2O3S and a molecular weight of 471.45 g/mol. Its IUPAC name is 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
PubChem CID69416851
Molecular FormulaC22H28Cl2N2O3S
Molecular Weight471.45 g/mol
Exact Mass470.12
IUPAC Name6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2Cl)cc2c1CCC2
InChIInChI=1S/C22H27ClN2O3S.ClH/c23-20-9-2-1-6-16(20)11-13-25-12-4-3-10-21(26)18-14-17-7-5-8-19(17)22(15-18)29(24,27)28;/h1-2,6,9,14-15,25H,3-5,7-8,10-13H2,(H2,24,27,28);1H
InChIKeyGWMRYADQIQWROS-UHFFFAOYSA-N
XLogP4.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)ethyl N-tert-butyl-N-[5-oxo-5-(7-sulfamoyl-2,3-dihydro-1H-inden-5-yl)pentyl]carbamate
CID 91566797
6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162338347
6-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfinamide
CID 143451554
N-(2-ethylphenyl)-7-sulfamoyl-2,3-dihydro-1H-indene-5-carboxamide
CID 71875065
5-[2-(2-chlorophenyl)ethylamino]-1-(2,2-dihydroxy-1,3-dimethyl-2λ4,1,3-benzothiadiazol-5-yl)pentan-1-one;hydrochloride
CID 69232348
5-[2-(2-chlorophenyl)ethylamino]-1-(2,2-dihydroxy-1,3-dimethyl-2λ4,1,3-benzothiadiazol-5-yl)pentan-1-one
CID 69232349
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
7-[5-[2-(2-methoxyphenyl)ethylamino]pentanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;hydrochloride
CID 139974709
N-methyl-5-[5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]pentanoyl]-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69400630
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
2-(2-chlorophenyl)ethyl-[5-oxo-5-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)pentyl]carbamic acid
CID 69221077

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride?
The IUPAC name of 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride (CID 69416851) is 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride.
What is the SMILES notation for 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride?
The canonical SMILES for 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cc(C(=O)CCCCNCCc2ccccc2Cl)cc2c1CCC2.
What is the InChIKey of 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride?
The InChIKey is GWMRYADQIQWROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S.ClH/c23-20-9-2-1-6-16(20)11-13-25-12-4-3-10-21(26)18-14-17-7-5-8-19(17)22(15-18)29(24,27)28;/h1-2,6,9,14-15,25H,3-5,7-8,10-13H2,(H2,24,27,28);1H.
What are the key properties of 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride?
6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride has a molecular weight of 471.45 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(2-chlorophenyl)ethylamino]pentanoyl]-2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride is sourced from PubChem (CID 69416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).